2-butoxyethyl(triethyl)azanium

C12H28NO+ — CID 3026387

IUPAC2-butoxyethyl(triethyl)azanium
SMILESCCCCOCC[N+](CC)(CC)CC
InChIInChI=1S/C12H28NO/c1-5-9-11-14-12-10-13(6-2,7-3)8-4/h5-12H2,1-4H3/q+1
InChIKeyLQRCPEBJNWWZGU-UHFFFAOYSA-N
MW202.36 g/mol
LogP2.68
Rot. Bonds9

About 2-butoxyethyl(triethyl)azanium

2-butoxyethyl(triethyl)azanium (PubChem CID 3026387) has the molecular formula C12H28NO+ and a molecular weight of 202.36 g/mol. Its IUPAC name is 2-butoxyethyl(triethyl)azanium.

Molecular Properties

Compound Name2-butoxyethyl(triethyl)azanium
PubChem CID3026387
Molecular FormulaC12H28NO+
Molecular Weight202.36 g/mol
Exact Mass202.22
IUPAC Name2-butoxyethyl(triethyl)azanium
SMILESCCCCOCC[N+](CC)(CC)CC
InChIInChI=1S/C12H28NO/c1-5-9-11-14-12-10-13(6-2,7-3)8-4/h5-12H2,1-4H3/q+1
InChIKeyLQRCPEBJNWWZGU-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butoxyethyl(triethyl)azanium?
The IUPAC name of 2-butoxyethyl(triethyl)azanium (CID 3026387) is 2-butoxyethyl(triethyl)azanium.
What is the SMILES notation for 2-butoxyethyl(triethyl)azanium?
The canonical SMILES for 2-butoxyethyl(triethyl)azanium is CCCCOCC[N+](CC)(CC)CC.
What is the InChIKey of 2-butoxyethyl(triethyl)azanium?
The InChIKey is LQRCPEBJNWWZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28NO/c1-5-9-11-14-12-10-13(6-2,7-3)8-4/h5-12H2,1-4H3/q+1.
What are the key properties of 2-butoxyethyl(triethyl)azanium?
2-butoxyethyl(triethyl)azanium has a molecular weight of 202.36 g/mol, XLogP of 2.68, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxyethyl(triethyl)azanium is sourced from PubChem (CID 3026387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).